BDBM181119 US9138393, Cimetidine::US9144538, Cimetidine

SMILES CN\C(NC#N)=N\CCSCc1nc[nH]c1C

InChI Key InChIKey=AQIXAKUUQRKLND-UHFFFAOYSA-N

Data  1 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 181119   

TargetHistamine H2 receptor(Homo sapiens (Human))
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM181119(US9138393, Cimetidine | US9144538, Cimetidine)
Affinity DataKi:  490nMAssay Description:Displacement of [125I]APT from human recombinant histamine H2 receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM181119(US9138393, Cimetidine | US9144538, Cimetidine)
Affinity DataIC50: >1.00E+4nMAssay Description:Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM181119(US9138393, Cimetidine | US9144538, Cimetidine)
Affinity DataIC50: >1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM181119(US9138393, Cimetidine | US9144538, Cimetidine)
Affinity DataIC50:  1.49E+5nMAssay Description:Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of YM155 after 1 minMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM181119(US9138393, Cimetidine | US9144538, Cimetidine)
Affinity DataIC50: >1.00E+4nMAssay Description:A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistamine H2 receptor(Homo sapiens (Human))
The University Of Newcastle

Curated by ChEMBL
LigandPNGBDBM181119(US9138393, Cimetidine | US9144538, Cimetidine)
Affinity DataIC50:  500nMAssay Description:Displacement of [125I]APT from human recombinant histamine H2 receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed